Nonequilibrium Molecular Dynamics Calculation of the Shear Viscosity of Carbon Dioxide
نویسنده
چکیده
Nonequilibrium molecular dynamics calculations of the shear viscosity of supercritical carbon dioxide along the 313 K isotherm are reported. Three different intermolecular potential models of increasing complexity are considered: a spherically symmetric Lennard-Jones potential, a two-site Lennard-Jones potential, and a three-site potential which includes a quadrupole-quadrupole moment. Results for the three potentials are compared with experimental data.
منابع مشابه
Non-equilibrium Molecular Dynamics Calculation of the Transport Properties of Carbon Dioxide
We compute the thermal conductivity and diffusion coefficient of supercritical carbon dioxide along the 313 K isotherm using non-equilibrium molecular dynamics. Comparisons are made with experiment at four densities corresponding to pressures of 30, 70, 200 and 500 bar. Two intermolecular potential models for carbon dioxide are compared. INTRODUCTION In a previous paper (Wang and Cummings, 1988...
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